5-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile

C17H10N10 — CID 118713921

IUPAC5-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cnc3nnn(Cc4[nH]nc5ncccc45)c3n2)cn1
InChIInChI=1S/C17H10N10/c18-6-11-4-3-10(7-20-11)13-8-21-16-17(22-13)27(26-25-16)9-14-12-2-1-5-19-15(12)24-23-14/h1-5,7-8H,9H2,(H,19,23,24)
InChIKeyYGJRLRBTLKGBSH-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.47
Rot. Bonds3

About 5-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile

5-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile (PubChem CID 118713921) has the molecular formula C17H10N10 and a molecular weight of 354.34 g/mol. Its IUPAC name is 5-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile
PubChem CID118713921
Molecular FormulaC17H10N10
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name5-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cnc3nnn(Cc4[nH]nc5ncccc45)c3n2)cn1
InChIInChI=1S/C17H10N10/c18-6-11-4-3-10(7-20-11)13-8-21-16-17(22-13)27(26-25-16)9-14-12-2-1-5-19-15(12)24-23-14/h1-5,7-8H,9H2,(H,19,23,24)
InChIKeyYGJRLRBTLKGBSH-UHFFFAOYSA-N
XLogP1.47
TPSA134.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile (CID 118713921) is 5-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile is N#Cc1ccc(-c2cnc3nnn(Cc4[nH]nc5ncccc45)c3n2)cn1.
What is the InChIKey of 5-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile?
The InChIKey is YGJRLRBTLKGBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N10/c18-6-11-4-3-10(7-20-11)13-8-21-16-17(22-13)27(26-25-16)9-14-12-2-1-5-19-15(12)24-23-14/h1-5,7-8H,9H2,(H,19,23,24).
What are the key properties of 5-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile?
5-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile has a molecular weight of 354.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 118713921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).